A1H3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.50Å | 1.52Å | |
| C4 | C5 | sing | 1.52Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.52Å | 1.54Å | |
| C3 | O5 | sing | 1.46Å | 1.48Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C2 | C8 | sing | 1.52Å | 1.57Å | |
| C2 | N1 | sing | 1.49Å | 1.56Å | |
| C7 | C8 | sing | 1.52Å | 1.56Å | |
| C7 | O3 | sing | 1.43Å | 1.44Å | |
| O5 | C1 | sing | 1.35Å | 1.37Å | |
| C8 | O4 | sing | 1.43Å | 1.44Å | |
| N1 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | C5 | 111.2° | 109.5° |
| O2 | C6 | H5 | 109.0° | 109.5° |
| O2 | C6 | H6 | 109.0° | 109.5° |
| C6 | O2 | H11 | 109.5° | 114.0° |
| C3 | C4 | C5 | 118.2° | 112.9° |
| C4 | C3 | C2 | 119.5° | 117.0° |
| C4 | C3 | O5 | 114.7° | 112.8° |
| C3 | C4 | H2 | 107.2° | 108.8° |
| C3 | C4 | H3 | 107.2° | 108.8° |
| C4 | C3 | H10 | 105.8° | 108.0° |
| C4 | C5 | C6 | 111.9° | 109.7° |
| C4 | C5 | C7 | 109.5° | 108.3° |
| C5 | C4 | H2 | 107.2° | 108.9° |
| C5 | C4 | H3 | 107.2° | 108.8° |
| C4 | C5 | H4 | 107.5° | 109.6° |
| C6 | C5 | C7 | 112.6° | 109.7° |
| C6 | C5 | H4 | 107.5° | 109.7° |
| C5 | C6 | H5 | 109.0° | 109.4° |
| C5 | C6 | H6 | 109.0° | 109.4° |
| C2 | C3 | O5 | 103.9° | 103.6° |
| C3 | C2 | C8 | 113.3° | 114.8° |
| C3 | C2 | N1 | 99.5° | 101.6° |
| C3 | C2 | H1 | 111.8° | 111.2° |
| C2 | C3 | H10 | 105.6° | 107.9° |
| C3 | O5 | C1 | 111.9° | 107.5° |
| O5 | C3 | H10 | 106.3° | 106.9° |
| C5 | C7 | C8 | 117.2° | 108.5° |
| C5 | C7 | O3 | 104.6° | 109.7° |
| C7 | C5 | H4 | 107.6° | 109.7° |
| C5 | C7 | H7 | 106.4° | 109.6° |
| C8 | C2 | N1 | 109.0° | 107.9° |
| C2 | C8 | C7 | 114.9° | 112.4° |
| C2 | C8 | O4 | 115.2° | 108.9° |
| C8 | C2 | H1 | 111.3° | 110.4° |
| C2 | C8 | H8 | 103.9° | 108.9° |
| C2 | N1 | C1 | 111.5° | 107.5° |
| N1 | C2 | H1 | 111.4° | 110.6° |
| C2 | N1 | H9 | 124.2° | 126.3° |
| C8 | C7 | O3 | 114.4° | 109.6° |
| C7 | C8 | O4 | 112.1° | 108.9° |
| C8 | C7 | H7 | 106.2° | 109.6° |
| C7 | C8 | H8 | 104.0° | 108.9° |
| O3 | C7 | H7 | 107.5° | 109.8° |
| C7 | O3 | H12 | 109.5° | 114.0° |
| O5 | C1 | N1 | 109.3° | 113.4° |
| O5 | C1 | O1 | 121.0° | 123.3° |
| O4 | C8 | H8 | 105.1° | 108.8° |
| C8 | O4 | H13 | 109.5° | 114.0° |
| N1 | C1 | O1 | 129.6° | 123.3° |
| C1 | N1 | H9 | 124.2° | 126.3° |
| H2 | C4 | H3 | 109.5° | 108.7° |
| H5 | C6 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | C5 | C4 | 71.8° | 64.9° |
| O2 | C6 | C5 | H5 | 120.3° | 120.1° |
| O2 | C6 | C5 | H6 | 120.3° | 120.0° |
| O2 | C6 | C5 | C7 | 52.1° | 176.2° |
| O2 | C6 | C5 | H4 | 170.5° | 55.6° |
| O2 | C6 | H5 | H6 | 119.2° | 120.1° |
| C3 | C4 | C5 | H2 | 121.2° | 120.9° |
| C3 | C4 | C5 | H3 | 121.2° | 120.8° |
| C3 | C4 | C5 | C6 | 167.8° | 176.3° |
| C4 | C3 | C2 | O5 | 129.4° | 124.9° |
| C4 | C3 | C2 | H10 | 118.9° | 122.0° |
| C4 | C3 | O5 | H10 | 116.5° | 118.6° |
| C3 | C4 | C5 | C7 | 42.2° | 56.5° |
| C4 | C3 | C2 | C8 | 31.7° | 33.6° |
| C4 | C3 | C2 | N1 | 147.2° | 149.7° |
| C4 | C3 | O5 | C1 | 146.0° | 148.7° |
| C4 | C3 | C2 | H1 | 95.0° | 92.7° |
| C3 | C4 | H2 | H3 | 116.0° | 118.3° |
| C3 | C4 | C5 | H4 | 74.5° | 63.2° |
| C4 | C5 | C6 | C7 | 123.9° | 118.9° |
| C4 | C5 | C6 | H4 | 117.8° | 120.5° |
| C5 | C4 | C3 | C2 | 36.5° | 41.0° |
| C5 | C4 | C3 | O5 | 87.9° | 79.1° |
| C4 | C5 | C7 | H4 | 116.5° | 119.6° |
| C4 | C5 | C7 | C8 | 48.3° | 65.7° |
| C4 | C5 | C7 | O3 | 176.2° | 174.6° |
| C5 | C4 | H2 | H3 | 116.0° | 118.4° |
| C4 | C5 | C6 | H5 | 168.0° | 175.0° |
| C4 | C5 | C6 | H6 | 48.5° | 55.1° |
| C4 | C5 | C7 | H7 | 70.2° | 54.0° |
| C5 | C4 | C3 | H10 | 155.3° | 163.0° |
| C6 | C5 | C7 | H4 | 118.2° | 120.6° |
| C6 | C5 | C7 | C8 | 173.6° | 174.6° |
| C6 | C5 | C7 | O3 | 58.6° | 54.9° |
| C6 | C5 | C4 | H2 | 46.6° | 62.8° |
| C6 | C5 | C4 | H3 | 71.0° | 55.5° |
| C5 | C6 | H5 | H6 | 119.2° | 119.9° |
| C6 | C5 | C7 | H7 | 55.1° | 65.7° |
| C5 | C6 | O2 | H11 | 180.0° | 180.0° |
| C2 | C3 | O5 | H10 | 111.2° | 113.8° |
| C3 | C2 | C8 | N1 | 109.8° | 112.4° |
| C3 | C2 | C8 | H1 | 126.9° | 126.7° |
| C3 | C2 | N1 | H1 | 118.0° | 118.1° |
| C3 | C2 | C8 | C7 | 36.2° | 42.6° |
| C2 | C3 | O5 | C1 | 13.7° | 21.1° |
| C3 | C2 | C8 | O4 | 168.9° | 163.4° |
| C3 | C2 | N1 | C1 | 18.7° | 20.9° |
| C2 | C3 | C4 | H2 | 84.8° | 161.9° |
| C2 | C3 | C4 | H3 | 157.7° | 79.8° |
| C3 | C2 | C8 | H8 | 76.7° | 78.2° |
| C3 | C2 | N1 | H9 | 161.4° | 159.0° |
| O5 | C3 | C2 | C8 | 97.7° | 91.3° |
| O5 | C3 | C2 | N1 | 17.8° | 24.8° |
| C3 | O5 | C1 | N1 | 1.8° | 8.4° |
| C3 | O5 | C1 | O1 | 174.5° | 171.7° |
| O5 | C3 | C2 | H1 | 135.6° | 142.5° |
| O5 | C3 | C4 | H2 | 150.8° | 41.8° |
| O5 | C3 | C4 | H3 | 33.3° | 160.1° |
| C5 | C7 | C8 | C2 | 47.6° | 59.2° |
| C5 | C7 | C8 | O3 | 123.0° | 119.8° |
| C5 | C7 | C8 | H7 | 118.6° | 119.7° |
| C5 | C7 | O3 | H7 | 112.8° | 120.5° |
| C5 | C7 | C8 | O4 | 178.3° | 180.0° |
| C7 | C5 | C4 | H2 | 79.1° | 177.4° |
| C7 | C5 | C4 | H3 | 163.4° | 64.3° |
| C7 | C5 | C6 | H5 | 68.1° | 56.2° |
| C7 | C5 | C6 | H6 | 172.4° | 63.8° |
| C5 | C7 | C8 | H8 | 65.3° | 61.6° |
| C5 | C7 | O3 | H12 | 180.0° | 179.9° |
| C8 | C2 | N1 | H1 | 123.3° | 120.8° |
| C2 | C8 | C7 | O4 | 134.1° | 120.8° |
| C2 | C8 | C7 | H8 | 112.9° | 120.8° |
| C2 | C8 | C7 | O3 | 170.6° | 179.0° |
| C2 | C8 | O4 | H8 | 113.7° | 118.6° |
| C8 | C2 | N1 | C1 | 100.1° | 100.2° |
| C2 | C8 | C7 | H7 | 71.0° | 60.5° |
| C8 | C2 | N1 | H9 | 79.9° | 80.0° |
| C8 | C2 | C3 | H10 | 150.6° | 155.6° |
| C2 | C8 | O4 | H13 | 180.0° | 180.0° |
| N1 | C2 | C8 | C7 | 146.0° | 155.0° |
| C2 | N1 | C1 | O5 | 11.3° | 8.7° |
| N1 | C2 | C8 | O4 | 81.4° | 84.2° |
| C2 | N1 | C1 | H9 | 180.0° | 179.9° |
| C2 | N1 | C1 | O1 | 172.9° | 171.2° |
| N1 | C2 | C8 | H8 | 33.1° | 34.3° |
| N1 | C2 | C3 | H10 | 93.9° | 88.3° |
| C8 | C7 | O3 | H7 | 117.7° | 120.4° |
| C7 | C8 | O4 | H8 | 112.4° | 118.5° |
| C7 | C8 | C2 | H1 | 90.7° | 84.1° |
| C8 | C7 | C5 | H4 | 68.2° | 54.0° |
| C8 | C7 | O3 | H12 | 50.5° | 61.0° |
| C7 | C8 | O4 | H13 | 46.1° | 57.1° |
| O3 | C7 | C8 | O4 | 55.3° | 60.2° |
| O3 | C7 | C5 | H4 | 59.6° | 65.7° |
| O3 | C7 | C8 | H8 | 57.7° | 58.2° |
| O5 | C1 | N1 | O1 | 175.8° | 179.9° |
| O5 | C1 | N1 | H9 | 168.7° | 171.1° |
| C1 | O5 | C3 | H10 | 97.5° | 92.7° |
| O4 | C8 | C2 | H1 | 41.9° | 36.7° |
| O4 | C8 | C7 | H7 | 63.1° | 60.3° |
| C1 | N1 | C2 | H1 | 136.6° | 139.0° |
| O1 | C1 | N1 | H9 | 7.1° | 8.9° |
| H1 | C2 | C8 | H8 | 156.4° | 155.2° |
| H1 | C2 | N1 | H9 | 43.4° | 40.8° |
| H1 | C2 | C3 | H10 | 23.9° | 29.4° |
| H2 | C4 | C5 | H4 | 164.3° | 57.7° |
| H2 | C4 | C3 | H10 | 34.0° | 76.1° |
| H3 | C4 | C5 | H4 | 46.8° | 176.0° |
| H3 | C4 | C3 | H10 | 83.5° | 42.1° |
| H4 | C5 | C6 | H5 | 50.2° | 64.5° |
| H4 | C5 | C6 | H6 | 69.2° | 175.6° |
| H4 | C5 | C7 | H7 | 173.3° | 173.7° |
| H5 | C6 | O2 | H11 | 59.7° | 60.0° |
| H6 | C6 | O2 | H11 | 59.7° | 60.1° |
| H7 | C7 | C8 | H8 | 176.1° | 178.7° |
| H7 | C7 | O3 | H12 | 67.2° | 59.4° |
| H8 | C8 | O4 | H13 | 66.3° | 61.4° |
